(6E)-6-[azanyl(1,2,4-triazol-4-yl)methylidene]-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[azanyl(1,2,4-triazol-4-yl)methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[amino(1,2,4-triazol-4-yl)methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[amino(1,2,4-triazol-4-yl)methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[amino(1,2,4-triazol-4-yl)methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[amino(1,2,4-triazol-4-yl)methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C9H7N5O3 MolecularWeight: 233.18358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N)N2C=NN=C2)C(=O)C(=C1)[N+](=O)[O-]

Isomeric SMILES

C1=C/C(=C(/N)\N2C=NN=C2)/C(=O)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H7N5O3/c10-9(13-4-11-12-5-13)6-2-1-3-7(8(6)15)14(16)17/h1-5H,10H2/b9-6+